CID 37818725

2-bromo-5-chloropyrazine

Structural Information

Molecular Formula
C4H2BrClN2
SMILES
C1=C(N=CC(=N1)Br)Cl
InChI
InChI=1S/C4H2BrClN2/c5-3-1-8-4(6)2-7-3/h1-2H
InChIKey
UXCPLGLOAZWCKO-UHFFFAOYSA-N
Compound name
2-bromo-5-chloropyrazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

506
Patents

191.909 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.916276 121.8
[M+Na]+ 214.898218 136.4
[M-H]- 190.901724 126.0
[M+NH4]+ 209.942823 143.6
[M+K]+ 230.872158 124.6
[M+H-H2O]+ 174.906260 122.4
[M+HCOO]- 236.907201 138.7
[M+CH3COO]- 250.922851 177.7
[M+Na-2H]- 212.883666 133.0
[M]+ 191.90845142 141.7
[M]- 191.90954858 141.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe